General Information of the Compound
| Compound ID |
CP0385542
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| Compound Name |
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C27H26N4O2S
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| Molecular Weight |
470.598
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| Canonical SMILES |
Cc1nc(c(s1)C(=O)N1CCCCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1
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| InChI |
InChI=1S/C27H26N4O2S/c1-18-30-24(20-9-3-2-4-10-20)25(34-18)27(33)31-16-6-5-13-21(31)17-29-26(32)22-14-7-11-19-12-8-15-28-23(19)22/h2-4,7-12,14-15,21H,5-6,13,16-17H2,1H3,(H,29,32)
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| InChIKey |
IFPSLMURKPCEEU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1